(Z)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-anilino-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-anilino-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-mercapto-1-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: (Z)-3-anilino-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-anilino-3-mercapto-1-(4-methoxyphenyl)-2-(3-methylolpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C22H21N2O3S+ MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC(=C3)CO

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(\NC2=CC=CC=C2)/S)/[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C22H20N2O3S/c1-27-19-11-9-17(10-12-19)21(26)20(24-13-5-6-16(14-24)15-25)22(28)23-18-7-3-2-4-8-18/h2-14,25H,15H2,1H3,(H-,23,26,28)/p+1